Data quality metrics extracted from 36js.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "adb7e27123388b454fa767d636bdc7e8",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 65.47,
    "b": 47.75,
    "c": 101.81,
    "alpha": 90.00,
    "beta": 93.19,
    "gamma": 90.00
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.88,1.75],
    "number_observations_unique": 63537,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1383
      },
      {
        "type": "R(pim)",
        "value": 0.0819
      },
      {
        "type": "I/SigI",
        "value": 4.98
      },
      {
        "type": "Completeness",
        "value": 99.53
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.75],
      "number_observations_unique": 2778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.407
        },
        {
          "type": "R(pim)",
          "value": 0.8166
        },
        {
          "type": "I/SigI",
          "value": 0.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.273
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):